SCHEMBL13524779

SCHEMBL13524779

CNC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 19/20 0.67
▸ DHFR P00374 2/20 0.67
▸ FOLR2 P14207 1/20 0.67
▸ FOLR1 P15328 1/20 0.67
▸ GART P22102 1/20 0.67
▸ ATIC P31939 1/20 0.67
▸ SHMT1 P34896 1/20 0.67
▸ SLC19A1 P41440 1/20 0.67
▸ FRK P42685 1/20 0.67
▸ SLC46A1 Q96NT5 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14612488 0.89 TYMS (0.67) TYMSDHFRFOLR2FOLR1GART
SCHEMBL13659935 0.89 TYMS (0.63) TYMSDHFRFOLR2FOLR1GART
SCHEMBL18551642 0.87 TYMS (0.64) TYMSDHFRFOLR2FOLR1GART
SCHEMBL2260428 0.87 TYMS (0.69) TYMSDHFRFOLR2FOLR1GART
SCHEMBL25476851 0.87 TYMS (0.64) TYMSDHFRFOLR2FOLR1GART
SCHEMBL8855177 0.87 TYMS (0.61) TYMSDHFRFOLR2FOLR1GART
SCHEMBL2260030 0.86 TYMS (0.67) TYMSDHFRFOLR2FOLR1GART
SCHEMBL24629271 0.86 TYMS (0.61) TYMSDHFRFOLR2FOLR1GART
SCHEMBL13524781 0.86 TYMS (0.74) TYMSDHFRFOLR2FOLR1GART
SCHEMBL2260032 0.85 TYMS (0.68) TYMSDHFRFOLR2FOLR1GART

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 — — US disclosed
US-20090156558-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES FARDIS MARIA 2009-06-18 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7432273-B2 Phosphonate analogs of antimetabolites GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
US-20070027114-A1 Phosphonate analogs of antimetabolites GILEAD SCIENCES INC. 2007-02-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156558-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES TYMP, PHOSPHO1, PHPT1 TYMS 66/4885DHFR 373/4885FOLR2 194/4885
US-20070027114-A1 Phosphonate analogs of antimetabolites TYMP, PHOSPHO1, PHPT1 TYMS 66/4885DHFR 373/4885FOLR2 194/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN TYMS 107/4885DHFR 1399/4885FOLR2 342/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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